SCHEMBL9989283

SCHEMBL9989283

COc1ccc(-n2nc(CCC(=O)NCc3cccc(C)c3)cc2-c2ccccc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
MALT1 Q9UDY8 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCKAR P32238 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
PSMD14 O00487 1/20 0.42
POLB P06746 1/20 0.42
PAX8 Q06710 1/20 0.42
GAA P10253 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9988942 0.94 TP53 (0.44) TP53MALT1RXRARXRBRXRG
SCHEMBL9989284 0.92 TP53 (0.51) TP53MALT1RXRARXRBRXRG
SCHEMBL9990241 0.91 TP53 (0.45) TP53MALT1RXRARXRBRXRG
SCHEMBL9989687 0.91 MALT1 (0.50) TP53MALT1RXRARXRBRXRG
SCHEMBL9988550 0.89 TP53 (0.47) TP53MALT1RXRARXRBRXRG
SCHEMBL9988729 0.88 MALT1 (0.48) TP53MALT1RXRARXRBRXRG
SCHEMBL9988493 0.88 MALT1 (0.56) TP53MALT1RXRARXRBRXRG
SCHEMBL9988937 0.88 RXRA (0.47) TP53MALT1RXRARXRBRXRG
SCHEMBL9988507 0.88 ALDH1A1 (0.45) TP53MALT1RXRARXRBRXRG
SCHEMBL9988542 0.87 ALDH1A1 (0.49) TP53MALT1RXRARXRBRXRG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO disclosed